COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -7.782   2.660  -0.354  1.00  0.00           C  
HETATM    2  C   UNL     1      -8.152   1.203  -0.468  1.00  0.00           C  
HETATM    3  N   UNL     1      -9.364   0.796  -0.774  1.00  0.00           N  
HETATM    4  C   UNL     1      -9.561  -0.478  -0.842  1.00  0.00           C  
HETATM    5  S   UNL     1      -8.115  -1.323  -0.499  1.00  0.00           S  
HETATM    6  C   UNL     1      -7.265   0.204  -0.271  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.837   0.363   0.077  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.282  -0.383   1.118  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.948  -0.230   1.437  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.036   1.254  -0.639  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.704   1.397  -0.310  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.161   0.660   0.728  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.706   0.821   1.082  1.00  0.00           C  
HETATM   14  N   UNL     1      -0.905  -0.128   0.305  1.00  0.00           N  
HETATM   15  C   UNL     1       0.433  -0.165   0.457  1.00  0.00           C  
HETATM   16  O   UNL     1       0.975   0.589   1.238  1.00  0.00           O  
HETATM   17  C   UNL     1       1.256  -1.142  -0.343  1.00  0.00           C  
HETATM   18  C   UNL     1       0.850  -2.587   0.015  1.00  0.00           C  
HETATM   19  C   UNL     1       2.206  -3.341   0.009  1.00  0.00           C  
HETATM   20  O   UNL     1       2.577  -3.717  -1.319  1.00  0.00           O  
HETATM   21  C   UNL     1       3.165  -2.260   0.568  1.00  0.00           C  
HETATM   22  N   UNL     1       2.679  -0.992  -0.004  1.00  0.00           N  
HETATM   23  C   UNL     1       3.417   0.121  -0.186  1.00  0.00           C  
HETATM   24  O   UNL     1       2.892   1.137  -0.591  1.00  0.00           O  
HETATM   25  C   UNL     1       4.894   0.104   0.112  1.00  0.00           C  
HETATM   26  C   UNL     1       5.134   0.627   1.529  1.00  0.00           C  
HETATM   27  C   UNL     1       4.719   2.098   1.607  1.00  0.00           C  
HETATM   28  C   UNL     1       4.306  -0.190   2.522  1.00  0.00           C  
HETATM   29  C   UNL     1       6.619   0.498   1.876  1.00  0.00           C  
HETATM   30  N   UNL     1       5.597   0.957  -0.850  1.00  0.00           N  
HETATM   31  C   UNL     1       6.896   0.732  -1.126  1.00  0.00           C  
HETATM   32  O   UNL     1       7.484  -0.176  -0.578  1.00  0.00           O  
HETATM   33  C   UNL     1       7.619   1.610  -2.115  1.00  0.00           C  
HETATM   34  O   UNL     1       8.975   1.175  -2.236  1.00  0.00           O  
HETATM   35  H   UNL     1      -7.364   3.004  -1.301  1.00  0.00           H  
HETATM   36  H   UNL     1      -8.672   3.243  -0.117  1.00  0.00           H  
HETATM   37  H   UNL     1      -7.043   2.786   0.436  1.00  0.00           H  
HETATM   38  H   UNL     1     -10.505  -0.944  -1.082  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.895  -1.077   1.673  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.518  -0.806   2.243  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.458   1.831  -1.449  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.083   2.087  -0.863  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.387   1.838   0.853  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.567   0.628   2.146  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.339  -0.731  -0.320  1.00  0.00           H  
HETATM   46  H   UNL     1       1.108  -0.966  -1.408  1.00  0.00           H  
HETATM   47  H   UNL     1       0.392  -2.625   1.004  1.00  0.00           H  
HETATM   48  H   UNL     1       0.177  -2.996  -0.738  1.00  0.00           H  
HETATM   49  H   UNL     1       2.172  -4.211   0.664  1.00  0.00           H  
HETATM   50  H   UNL     1       3.418  -4.191  -1.373  1.00  0.00           H  
HETATM   51  H   UNL     1       3.111  -2.231   1.657  1.00  0.00           H  
HETATM   52  H   UNL     1       4.188  -2.457   0.245  1.00  0.00           H  
HETATM   53  H   UNL     1       5.268  -0.917   0.033  1.00  0.00           H  
HETATM   54  H   UNL     1       3.661   2.190   1.360  1.00  0.00           H  
HETATM   55  H   UNL     1       4.890   2.471   2.617  1.00  0.00           H  
HETATM   56  H   UNL     1       5.309   2.680   0.900  1.00  0.00           H  
HETATM   57  H   UNL     1       4.654  -1.223   2.523  1.00  0.00           H  
HETATM   58  H   UNL     1       4.416   0.231   3.522  1.00  0.00           H  
HETATM   59  H   UNL     1       3.256  -0.161   2.230  1.00  0.00           H  
HETATM   60  H   UNL     1       7.209   1.080   1.168  1.00  0.00           H  
HETATM   61  H   UNL     1       6.790   0.871   2.886  1.00  0.00           H  
HETATM   62  H   UNL     1       6.915  -0.550   1.821  1.00  0.00           H  
HETATM   63  H   UNL     1       5.126   1.684  -1.287  1.00  0.00           H  
HETATM   64  H   UNL     1       7.128   1.544  -3.086  1.00  0.00           H  
HETATM   65  H   UNL     1       7.599   2.642  -1.767  1.00  0.00           H  
HETATM   66  H   UNL     1       9.501   1.696  -2.858  1.00  0.00           H  
CONECT    1    2   35   36   37                                       
CONECT    2    3    1    6    6                                       
CONECT    3    4    4    2                                            
CONECT    4    3    3    5   38                                       
CONECT    5    4    6                                                 
CONECT    6    2    2    5    7                                       
CONECT    7    6    8    8   10                                       
CONECT    8    7    7    9   39                                       
CONECT    9    8   12   12   40                                       
CONECT   10    7   11   11   41                                       
CONECT   11   10   10   12   42                                       
CONECT   12    9    9   11   13                                       
CONECT   13   12   14   43   44                                       
CONECT   14   13   15   45                                            
CONECT   15   14   16   16   17                                       
CONECT   16   15   15                                                 
CONECT   17   18   15   22   46                                       
CONECT   18   17   19   47   48                                       
CONECT   19   18   20   21   49                                       
CONECT   20   19   50                                                 
CONECT   21   19   22   51   52                                       
CONECT   22   17   21   23                                            
CONECT   23   22   24   24   25                                       
CONECT   24   23   23                                                 
CONECT   25   23   26   30   53                                       
CONECT   26   29   25   27   28                                       
CONECT   27   26   54   55   56                                       
CONECT   28   26   57   58   59                                       
CONECT   29   26   60   61   62                                       
CONECT   30   25   31   63                                            
CONECT   31   30   32   32   33                                       
CONECT   32   31   31                                                 
CONECT   33   31   34   64   65                                       
CONECT   34   33   66                                                 
CONECT   35    1                                                      
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38    4                                                      
CONECT   39    8                                                      
CONECT   40    9                                                      
CONECT   41   10                                                      
CONECT   42   11                                                      
CONECT   43   13                                                      
CONECT   44   13                                                      
CONECT   45   14                                                      
CONECT   46   17                                                      
CONECT   47   18                                                      
CONECT   48   18                                                      
CONECT   49   19                                                      
CONECT   50   20                                                      
CONECT   51   21                                                      
CONECT   52   21                                                      
CONECT   53   25                                                      
CONECT   54   27                                                      
CONECT   55   27                                                      
CONECT   56   27                                                      
CONECT   57   28                                                      
CONECT   58   28                                                      
CONECT   59   28                                                      
CONECT   60   29                                                      
CONECT   61   29                                                      
CONECT   62   29                                                      
CONECT   63   30                                                      
CONECT   64   33                                                      
CONECT   65   33                                                      
CONECT   66   34                                                      
MASTER        0    0    0    0    0    0    0    0   66    0   66    0
END
